7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde

C17H16ClN3O3 — CID 138633826

IUPAC7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde
SMILESCCn1cc2c(n1)c(Cl)c(C=O)c(=O)n2Cc1ccc(OC)cc1
InChIInChI=1S/C17H16ClN3O3/c1-3-20-9-14-16(19-20)15(18)13(10-22)17(23)21(14)8-11-4-6-12(24-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3
InChIKeyJBNIPMLUJVSPHC-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.74
Rot. Bonds5

About 7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde

7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde (PubChem CID 138633826) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde
PubChem CID138633826
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde
SMILESCCn1cc2c(n1)c(Cl)c(C=O)c(=O)n2Cc1ccc(OC)cc1
InChIInChI=1S/C17H16ClN3O3/c1-3-20-9-14-16(19-20)15(18)13(10-22)17(23)21(14)8-11-4-6-12(24-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3
InChIKeyJBNIPMLUJVSPHC-UHFFFAOYSA-N
XLogP2.74
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one
CID 138633811
2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one
CID 175843982
7-chloro-2-ethyl-6-[5-(2-hydroxyethylamino)-6-methyl-1H-benzimidazol-2-yl]-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one
CID 167112505
N-(3,5-dimethoxyphenyl)-2-[2-ethyl-6-[(4-methoxyphenyl)methyl]-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide
CID 22424342
2-[2-ethyl-6-[(4-methoxyphenyl)methyl]-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-phenylacetamide
CID 20937459
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
2,8-bis[(4-methoxyphenyl)methyl]-1,9-dioxopyrido[4,3-b][1,6]naphthyridine-4,6-dicarbaldehyde
CID 101008201
2-[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
CID 15988557
N-(2,4-dimethylphenyl)-2-[2-ethyl-6-[(4-methoxyphenyl)methyl]-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide
CID 20937456
3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 138111408
3-formyl-6-methoxy-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 50742419
4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 23153965

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde?
The IUPAC name of 7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde (CID 138633826) is 7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde.
What is the SMILES notation for 7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde?
The canonical SMILES for 7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde is CCn1cc2c(n1)c(Cl)c(C=O)c(=O)n2Cc1ccc(OC)cc1.
What is the InChIKey of 7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde?
The InChIKey is JBNIPMLUJVSPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-3-20-9-14-16(19-20)15(18)13(10-22)17(23)21(14)8-11-4-6-12(24-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde?
7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde has a molecular weight of 345.79 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde is sourced from PubChem (CID 138633826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).